(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone

C12H18N2O2 — CID 166662632

IUPAC(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
SMILESCC1=NOC2(C(=O)N3CCCC3)CCCC12
InChIInChI=1S/C12H18N2O2/c1-9-10-5-4-6-12(10,16-13-9)11(15)14-7-2-3-8-14/h10H,2-8H2,1H3
InChIKeyUPNKUCYEZNEGPN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.55
Rot. Bonds1

About (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone

(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone (PubChem CID 166662632) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
PubChem CID166662632
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
SMILESCC1=NOC2(C(=O)N3CCCC3)CCCC12
InChIInChI=1S/C12H18N2O2/c1-9-10-5-4-6-12(10,16-13-9)11(15)14-7-2-3-8-14/h10H,2-8H2,1H3
InChIKeyUPNKUCYEZNEGPN-UHFFFAOYSA-N
XLogP1.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone (CID 166662632) is (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone is CC1=NOC2(C(=O)N3CCCC3)CCCC12.
What is the InChIKey of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is UPNKUCYEZNEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-10-5-4-6-12(10,16-13-9)11(15)14-7-2-3-8-14/h10H,2-8H2,1H3.
What are the key properties of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 222.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166662632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).